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Adsorption of multiple H2 molecules on the complex TiC6H6: An unusual combination of chemisorption and physisorption

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  • Ma, Li-Juan
  • Wang, Jianfeng
  • Han, Min
  • Jia, Jianfeng
  • Wu, Hai-Shun
  • Zhang, Xiang

Abstract

The hydrogen physisorption properties of diverse examples of Ti-decorated six-membered carbocycles have been established and intensively investigated. However, fewer investigations have been devoted to the chemical reactions occurring during the process of hydrogen storage. Herein, for the first time, a variety of plausible hydrogenation intermediates and physisorption complexes involving multiple H2 molecules on the complex TiC6H6 has been investigated simultaneously. The relative Gibbs free energies of TiC6H6-nH2 (n = 1–4) isomers and the minimum-energy pathways of the successive hydrogenation steps show that the overall reactions to give the hydrogenation product TiC6H11-3H is exothermic by 11.07 kcal/mol in terms of ΔG (298.15 K). It indicates that a facile switch of hydrogen addition and release with superior capacity of 6.02 wt % can be quickly achieved with simply regulated by increasing/decreasing the hydrogen pressure, which is consistent with the recent experiment on hydrogen adsorption in TiC6H6 at room temperature. The physisorption processes show that three H2 molecules can be efficiently trapped below 210 K and desorbed completely at 935 K. More importantly, chemisorption and physisorption will convert in certain circumstances, which indicates that the mechanism of the bonding of H2 molecules on TiC6H6 is an unusual combination of chemisorption and physisorption.

Suggested Citation

  • Ma, Li-Juan & Wang, Jianfeng & Han, Min & Jia, Jianfeng & Wu, Hai-Shun & Zhang, Xiang, 2019. "Adsorption of multiple H2 molecules on the complex TiC6H6: An unusual combination of chemisorption and physisorption," Energy, Elsevier, vol. 171(C), pages 315-325.
  • Handle: RePEc:eee:energy:v:171:y:2019:i:c:p:315-325
    DOI: 10.1016/j.energy.2019.01.018
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    as
    1. Fernandes, D. & Pitié, F. & Cáceres, G. & Baeyens, J., 2012. "Thermal energy storage: “How previous findings determine current research priorities”," Energy, Elsevier, vol. 39(1), pages 246-257.
    2. Pedicini, R. & Schiavo, B. & Rispoli, P. & Saccà, A. & Carbone, A. & Gatto, I. & Passalacqua, E., 2014. "Progress in polymeric material for hydrogen storage application in middle conditions," Energy, Elsevier, vol. 64(C), pages 607-614.
    3. Penner, S.S., 2006. "Steps toward the hydrogen economy," Energy, Elsevier, vol. 31(1), pages 33-43.
    4. Ensafi, Ali A. & Jafari-Asl, Mehdi & Nabiyan, Afshin & Rezaei, Behzad & Dinari, Mohammad, 2016. "Hydrogen storage in hybrid of layered double hydroxides/reduced graphene oxide using spillover mechanism," Energy, Elsevier, vol. 99(C), pages 103-114.
    5. Kikkinides, Eustathios S. & Georgiadis, Michael C. & Stubos, Athanasios K., 2006. "Dynamic modelling and optimization of hydrogen storage in metal hydride beds," Energy, Elsevier, vol. 31(13), pages 2428-2446.
    6. Fan, Mei-Qiang & Liu, Shu-sheng & Zhang, Yao & Zhang, Jian & Sun, Li-Xian & Xu, Fen, 2010. "Superior hydrogen storage properties of MgH2–10 wt.% TiC composite," Energy, Elsevier, vol. 35(8), pages 3417-3421.
    7. Gomes, I.L.R. & Pousinho, H.M.I. & Melício, R. & Mendes, V.M.F., 2017. "Stochastic coordination of joint wind and photovoltaic systems with energy storage in day-ahead market," Energy, Elsevier, vol. 124(C), pages 310-320.
    8. Carton, J.G. & Olabi, A.G., 2010. "Wind/hydrogen hybrid systems: Opportunity for Ireland’s wind resource to provide consistent sustainable energy supply," Energy, Elsevier, vol. 35(12), pages 4536-4544.
    9. Barbir, Frano, 2009. "Transition to renewable energy systems with hydrogen as an energy carrier," Energy, Elsevier, vol. 34(3), pages 308-312.
    10. Avril, S. & Arnaud, G. & Florentin, A. & Vinard, M., 2010. "Multi-objective optimization of batteries and hydrogen storage technologies for remote photovoltaic systems," Energy, Elsevier, vol. 35(12), pages 5300-5308.
    11. Principi, G. & Agresti, F. & Maddalena, A. & Lo Russo, S., 2009. "The problem of solid state hydrogen storage," Energy, Elsevier, vol. 34(12), pages 2087-2091.
    12. Chen, Y. & Kim, H., 2010. "Preparation and application of sodium borohydride composites for portable hydrogen production," Energy, Elsevier, vol. 35(2), pages 960-963.
    13. Neef, H.-J., 2009. "International overview of hydrogen and fuel cell research," Energy, Elsevier, vol. 34(3), pages 327-333.
    14. Berry, Gene D. & Pasternak, Alan D. & Rambach, Glenn D. & Ray Smith, J. & Schock, Robert N., 1996. "Hydrogen as a future transportation fuel," Energy, Elsevier, vol. 21(4), pages 289-303.
    15. Kalamse, Vijayanand & Wadnerkar, Nitin & Chaudhari, Ajay, 2013. "Multi-functionalized naphthalene complexes for hydrogen storage," Energy, Elsevier, vol. 49(C), pages 469-474.
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    1. Kumar, Sandeep & Dhilip Kumar, T.J., 2020. "Hydrogen trapping potential of Ca decorated metal-graphyne framework," Energy, Elsevier, vol. 199(C).

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